| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:23 UTC |
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| Update Date | 2025-03-25 00:48:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170182 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H36O7 |
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| Molecular Mass | 400.2461 |
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| SMILES | CCCCCCCCCCCCCC(=O)OC1C(=O)CC(O)(C(=O)O)CC1O |
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| InChI Key | HVUDULKXMBXSBO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-acyloxy ketonescarboxylic acid esterscarboxylic acidscyclic ketonescyclitols and derivativesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-acyloxy ketonealpha-hydroxy acidcyclitol or derivativescyclic ketonehydroxy acidcyclic alcoholcarboxylic acid derivativeketonefatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholaliphatic homomonocyclic compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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